Changeset 55a71b for molecuilder/src/molecule.hpp
- Timestamp:
- Oct 27, 2009, 11:51:52 AM (16 years ago)
- Children:
- a9b2a0a
- Parents:
- 8b6ee4
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/src/molecule.hpp
r8b6ee4 r55a71b 228 228 void PrincipalAxisSystem(ofstream *out, bool DoRotate); 229 229 double VolumeOfConvexEnvelope(ofstream *out, bool IsAngstroem); 230 Vector* FindEmbeddingHole(ofstream *out, molecule *srcmol);231 232 230 233 231 double ConstrainedPotential(ofstream *out, struct EvaluatePotential &Params);
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